N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C7H10F3N5 — CID 106212209

IUPACN-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCn1nnc(CNC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C7H10F3N5/c1-15-13-5(12-14-15)4-11-6(2-3-6)7(8,9)10/h11H,2-4H2,1H3
InChIKeyIJHWFLZDAQQGAF-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.39
Rot. Bonds3

About N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106212209) has the molecular formula C7H10F3N5 and a molecular weight of 221.19 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106212209
Molecular FormulaC7H10F3N5
Molecular Weight221.19 g/mol
Exact Mass221.09
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCn1nnc(CNC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C7H10F3N5/c1-15-13-5(12-14-15)4-11-6(2-3-6)7(8,9)10/h11H,2-4H2,1H3
InChIKeyIJHWFLZDAQQGAF-UHFFFAOYSA-N
XLogP0.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106212209) is N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is Cn1nnc(CNC2(C(F)(F)F)CC2)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is IJHWFLZDAQQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5/c1-15-13-5(12-14-15)4-11-6(2-3-6)7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 221.19 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106212209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).